N-(4-bromophenyl)-2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

Formula: C17H16BrN3O2S

SMILES: CCOC1=CC=C2NC(SCC(=O)NC3=CC=C(Br)C=C3)=NC2=C1

IUPAC: N-(4-bromophenyl)-2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

InChI: InChI=1S/C17H16BrN3O2S/c1-2-23-13-7-8-14-15(9-13)21-17(20-14)24-10-16(22)19-12-5-3-11(18)4-6-12/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)

Composition: C (50.26%), H (3.97%), Br (19.67%), N (10.34%), O (7.88%), S (7.89%)

Molar Mass: 406.3

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	405.014661
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DFEUGPMVYXENDF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.54
Topological Polar Surface Area	67.01
Polarizability	39.25
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00